BDBM78087 2-[4-(4-methylphenyl)sulfonylimino-1-oxo-2-naphthalenyl]-3-oxobutanoic acid methyl ester::3-keto-2-(1-keto-4-tosylimino-2-naphthyl)butyric acid methyl ester::MLS000521425::SMR000131833::cid_9551443::methyl 2-[4-(4-methylphenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]-3-oxidanylidene-butanoate::methyl 2-[4-(4-methylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]-3-oxobutanoate
SMILES: COC(=O)C(C(C)=O)=C1C=C(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O
InChI Key: InChIKey=XAVHNLMPCGNMCN-UHFFFAOYSA-N
Data: 4 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TPA: Essential protein of the mitochondrial intermembrane space (Saccharomyces cerevisiae S288c) | BDBM78087![]() (2-[4-(4-methylphenyl)sulfonylimino-1-oxo-2-naphtha...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM78087![]() (2-[4-(4-methylphenyl)sulfonylimino-1-oxo-2-naphtha...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2WW7G4W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex) (Saccharomyces cerevisiae S288c) | BDBM78087![]() (2-[4-(4-methylphenyl)sulfonylimino-1-oxo-2-naphtha...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q26D5RGW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM78087![]() (2-[4-(4-methylphenyl)sulfonylimino-1-oxo-2-naphtha...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 414 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2S75DTS | |||||||||||
More data for this Ligand-Target Pair |